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Author:
Jeremy Wohlwend, Gabriele Corso, Saro Passaro
License:
MIT
Summary:
Community-maintained fork of Boltz with bug fixes, broader compatibility, and CI
Latest version:
2.10.12
Required dependencies:
biopython
|
chembl-structure-pipeline
|
click
|
dm-tree
|
einops
|
einx
|
gemmi
|
hydra-core
|
mashumaro
|
modelcif
|
numba
|
numpy
|
pandas
|
pytorch-lightning
|
pyyaml
|
rdkit
|
requests
|
scikit-learn
|
scipy
|
torch
|
types-requests
|
wandb
Optional dependencies:
cuequivariance-ops-cu12
|
cuequivariance-ops-torch-cu12
|
cuequivariance-torch
|
gemmi
|
pytest
|
requests
|
ruff
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